4-(4H-thiopyran-4-yl)-4H-thiopyran

C10H10S2 — CID 135053093

IUPAC4-(4H-thiopyran-4-yl)-4H-thiopyran
SMILESC1=CC(C2C=CSC=C2)C=CS1
InChIInChI=1S/C10H10S2/c1-5-11-6-2-9(1)10-3-7-12-8-4-10/h1-10H
InChIKeyAMERFTKKEKBIJZ-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.77
Rot. Bonds1

About 4-(4H-thiopyran-4-yl)-4H-thiopyran

4-(4H-thiopyran-4-yl)-4H-thiopyran (PubChem CID 135053093) has the molecular formula C10H10S2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 4-(4H-thiopyran-4-yl)-4H-thiopyran.

Molecular Properties

Compound Name4-(4H-thiopyran-4-yl)-4H-thiopyran
PubChem CID135053093
Molecular FormulaC10H10S2
Molecular Weight194.32 g/mol
Exact Mass194.02
IUPAC Name4-(4H-thiopyran-4-yl)-4H-thiopyran
SMILESC1=CC(C2C=CSC=C2)C=CS1
InChIInChI=1S/C10H10S2/c1-5-11-6-2-9(1)10-3-7-12-8-4-10/h1-10H
InChIKeyAMERFTKKEKBIJZ-UHFFFAOYSA-N
XLogP3.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(prop-2-enyldisulfanyl)methyl]-3,4-dihydro-2H-thiopyran
CID 14223532
3-{[(Prop-2-en-1-yl)sulfanyl]methyl}-3,4-dihydro-2H-thiopyran
CID 14223534
3-(3,4-dihydro-2H-thiopyran-3-ylmethylsulfanylmethyl)-3,4-dihydro-2H-thiopyran
CID 14223542
3-[(prop-2-enyltrisulfanyl)methyl]-3,4-dihydro-2H-thiopyran
CID 14223546
3-[(3,4-dihydro-2H-thiopyran-3-ylmethyldisulfanyl)methyl]-3,4-dihydro-2H-thiopyran
CID 14223549
(3R)-3-[(prop-2-enyldisulfanyl)methyl]-3,4-dihydro-2H-thiopyran
CID 162846130
4-tert-butyl-4H-thiopyran
CID 89751103
4-propan-2-yl-4H-thiopyran
CID 132262972
(2S,3S)-2,3-bis(ethenyl)butane-1,4-dithiol
CID 15889658
(2R,3R)-2,3-bis(ethenyl)butane-1,4-dithiol
CID 101047634

Frequently Asked Questions

What is the IUPAC name of 4-(4H-thiopyran-4-yl)-4H-thiopyran?
The IUPAC name of 4-(4H-thiopyran-4-yl)-4H-thiopyran (CID 135053093) is 4-(4H-thiopyran-4-yl)-4H-thiopyran.
What is the SMILES notation for 4-(4H-thiopyran-4-yl)-4H-thiopyran?
The canonical SMILES for 4-(4H-thiopyran-4-yl)-4H-thiopyran is C1=CC(C2C=CSC=C2)C=CS1.
What is the InChIKey of 4-(4H-thiopyran-4-yl)-4H-thiopyran?
The InChIKey is AMERFTKKEKBIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10S2/c1-5-11-6-2-9(1)10-3-7-12-8-4-10/h1-10H.
What are the key properties of 4-(4H-thiopyran-4-yl)-4H-thiopyran?
4-(4H-thiopyran-4-yl)-4H-thiopyran has a molecular weight of 194.32 g/mol, XLogP of 3.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4H-thiopyran-4-yl)-4H-thiopyran is sourced from PubChem (CID 135053093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).